N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-phenylbenzimidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5

InChI

InChI=1S/C23H19N3O3S/c27-22(24-13-16-10-11-20-21(12-16)29-15-28-20)14-30-23-25-18-8-4-5-9-19(18)26(23)17-6-2-1-3-7-17/h1-12H,13-15H2,(H,24,27)